Optimization of\nNeutralization Conditions and Comparative\nStudy of Nerve Agents and Simulants Using a Reaction Calorimeter

Studies on the safe disposal of nerve agents face limitations\ndue\nto the restrictions and risks associated with their use. In this study,\nwe optimized the neutralization conditions for nerve agents pinacolyl\nmethylphosphonofluoridate (GD), ethyl dimethylphosphoroamidocyanate\n(GA), and ethyl <i>N</i>-2-diisopropylaminoethyl methylphosphonothiolate\n(VX), by conducting comparative neutralization reactions using simulants\nand a reaction calorimeter. The neutralization reactions of diethyl\nchlorophosphite (DECP), diphenyl chlorophosphite (DPCP), and butyryl\nchloride (BC) were compared using a reaction calorimeter. More than\n2 equiv of KOH neutralized over 99% of the nerve agents. To prevent\nthe formation of precipitates and make the process suitable for the\ndisposal of nerve agents, the reaction was conducted at concentrations\nof ≤40% for GD and GA and ≤60% for VX. The neutralization\nenthalpy of each agent was determined based on the measured heat flow;\nsimilar heat flow patterns were observed for GD, GA, DECP, and BC.